3-(2-phenyl-1,3-oxazolidine-3-carbonyl)benzonitrile

C17H14N2O2 — CID 110740315

IUPAC3-(2-phenyl-1,3-oxazolidine-3-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCOC2c2ccccc2)c1
InChIInChI=1S/C17H14N2O2/c18-12-13-5-4-8-15(11-13)16(20)19-9-10-21-17(19)14-6-2-1-3-7-14/h1-8,11,17H,9-10H2
InChIKeyCYMHPZCKAFSULT-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.73
Rot. Bonds2

About 3-(2-phenyl-1,3-oxazolidine-3-carbonyl)benzonitrile

3-(2-phenyl-1,3-oxazolidine-3-carbonyl)benzonitrile (PubChem CID 110740315) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(2-phenyl-1,3-oxazolidine-3-carbonyl)benzonitrile.

Molecular Properties

Compound Name3-(2-phenyl-1,3-oxazolidine-3-carbonyl)benzonitrile
PubChem CID110740315
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-(2-phenyl-1,3-oxazolidine-3-carbonyl)benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCOC2c2ccccc2)c1
InChIInChI=1S/C17H14N2O2/c18-12-13-5-4-8-15(11-13)16(20)19-9-10-21-17(19)14-6-2-1-3-7-14/h1-8,11,17H,9-10H2
InChIKeyCYMHPZCKAFSULT-UHFFFAOYSA-N
XLogP2.73
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-1,3-oxazolidine-3-carbonyl)benzonitrile?
The IUPAC name of 3-(2-phenyl-1,3-oxazolidine-3-carbonyl)benzonitrile (CID 110740315) is 3-(2-phenyl-1,3-oxazolidine-3-carbonyl)benzonitrile.
What is the SMILES notation for 3-(2-phenyl-1,3-oxazolidine-3-carbonyl)benzonitrile?
The canonical SMILES for 3-(2-phenyl-1,3-oxazolidine-3-carbonyl)benzonitrile is N#Cc1cccc(C(=O)N2CCOC2c2ccccc2)c1.
What is the InChIKey of 3-(2-phenyl-1,3-oxazolidine-3-carbonyl)benzonitrile?
The InChIKey is CYMHPZCKAFSULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c18-12-13-5-4-8-15(11-13)16(20)19-9-10-21-17(19)14-6-2-1-3-7-14/h1-8,11,17H,9-10H2.
What are the key properties of 3-(2-phenyl-1,3-oxazolidine-3-carbonyl)benzonitrile?
3-(2-phenyl-1,3-oxazolidine-3-carbonyl)benzonitrile has a molecular weight of 278.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyl-1,3-oxazolidine-3-carbonyl)benzonitrile is sourced from PubChem (CID 110740315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).